CID 64424927

4-fluoro-3-(1h-indole-3-carbonyl)aniline

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C3=C(C=CC(=C3)N)F

InChI

InChI=1S/C15H11FN2O/c16-13-6-5-9(17)7-11(13)15(19)12-8-18-14-4-2-1-3-10(12)14/h1-8,18H,17H2

InChIKey

JDBWUUOGIZODHN-UHFFFAOYSA-N

Compound name

(5-amino-2-fluorophenyl)-(1H-indol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.08554 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.092816	154.2
[M+Na]+	277.074758	164.3
[M-H]-	253.078264	158.6
[M+NH4]+	272.119363	171.7
[M+K]+	293.048698	158.0
[M+H-H2O]+	237.082800	146.1
[M+HCOO]-	299.083741	176.3
[M+CH3COO]-	313.099391	166.6
[M+Na-2H]-	275.060206	158.3
[M]+	254.08499142	152.1
[M]-	254.08608858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe